Product OPENEYE NAME: phenyl N-(benzotriazol-1-yl)carbamate
CAS Name: N-(1-benzotriazolyl)carbamic acid phenyl ester
IUPAC NAME: phenyl N-(benzotriazol-1-yl)carbamate
SYSTEMATIC NAME: phenyl N-(benzotriazol-1-yl)carbamate
MOLECULAR FORMULA: C13H10N4O2
MOLECULAR WEIGHT: 254.2441
SMILES: C1=CC=C(C=C1)OC(=O)NN2C3=CC=CC=C3N=N2
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Product OPENEYE NAME: triethyl-[(E)-1-(phenoxymethyl)-3-(3-triethylsilyloxycyclopent-2-en-1-yl)allyloxy]silane
CAS Name: triethyl-[[3-[(E)-4-phenoxy-3-triethylsilyloxybut-1-enyl]-1-cyclopentenyl]oxy]silane
IUPAC NAME: triethyl-[3-[(E)-4-phenoxy-3-triethylsilyloxybut-1-enyl]cyclopenten-1-yl]oxysilane
SYSTEMATIC NAME: triethyl-[3-[(E)-4-phenoxy-3-triethylsilyloxy-but-1-enyl]cyclopenten-1-yl]oxy-silane
MOLECULAR FORMULA: C27H46O3Si2
MOLECULAR WEIGHT: 474.82334
SMILES: CC[Si](CC)(CC)OC1=CC(CC1)/C=C/C(COC2=CC=CC=C2)O[Si](CC)(CC)CC
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Product OPENEYE NAME: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,2-dimethyl-guanidine
CAS Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,2-dimethylguanidine
IUPAC NAME: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,2-dimethylguanidine
SYSTEMATIC NAME: 1-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]-1,2-dimethyl-guanidine
MOLECULAR FORMULA: C20H27N7O2
MOLECULAR WEIGHT: 397.47408
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)N(C)C(=NC)N
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Product OPENEYE NAME: 3-(2-carboxylatoethynylsulfanyl)prop-2-ynoate
CAS Name: 3-(2-carboxylatoethynylthio)-2-propynoate
IUPAC NAME: 3-(2-carboxylatoethynylsulfanyl)prop-2-ynoate
SYSTEMATIC NAME: 3-(3-oxidanidyl-3-oxidanylidene-prop-1-ynyl)sulfanylprop-2-ynoate
MOLECULAR FORMULA: C6O4S-2
MOLECULAR WEIGHT: 168.1268
SMILES: C(#CSC#CC(=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 3-(2-carboxyethynylsulfanyl)prop-2-ynoic acid
CAS Name: 3-(2-carboxyethynylthio)-2-propynoic acid
IUPAC NAME: 3-(2-carboxyethynylsulfanyl)prop-2-ynoic acid
SYSTEMATIC NAME: 3-(3-oxidanyl-3-oxidanylidene-prop-1-ynyl)sulfanylprop-2-ynoic acid
MOLECULAR FORMULA: C6H2O4S
MOLECULAR WEIGHT: 170.14268
SMILES: C(#CSC#CC(=O)O)C(=O)O
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Product OPENEYE NAME: methyl dodecanoate; propan-2-ol
CAS Name: dodecanoic acid methyl ester; 2-propanol
IUPAC NAME: methyl dodecanoate; propan-2-ol
SYSTEMATIC NAME: methyl dodecanoate; propan-2-ol
MOLECULAR FORMULA: C16H34O3
MOLECULAR WEIGHT: 274.43936
SMILES: CCCCCCCCCCCC(=O)OC.CC(C)O
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Product OPENEYE NAME: [3-hydroxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate; methane
CAS Name: methane; (E)-9-octadecenoic acid [3-hydroxy-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester
IUPAC NAME: [3-hydroxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate; methane
SYSTEMATIC NAME: methane; [2-[(E)-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C40H76O5
MOLECULAR WEIGHT: 637.02844
SMILES: C.CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC
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Product OPENEYE NAME: (1-chlorooxy-1,2,2-trifluorooxy-ethyl) hypofluorite
CAS Name: hypofluorous acid (1-chlorooxy-1,2,2-trifluorooxyethyl) ester
IUPAC NAME: (1-chlorooxy-1,2,2-trifluorooxyethyl) hypofluorite
SYSTEMATIC NAME: [1-chloranyloxy-1,2,2-tris(fluoranyloxy)ethyl] hypofluorite
MOLECULAR FORMULA: C2HClF4O5
MOLECULAR WEIGHT: 216.472953
SMILES: C(C(OF)(OF)OCl)(OF)OF
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Product OPENEYE NAME: (1-chloro-1,2,2,2-tetrafluorooxy-ethyl) hypofluorite
CAS Name: hypofluorous acid (1-chloro-1,2,2,2-tetrafluorooxyethyl) ester
IUPAC NAME: (1-chloro-1,2,2,2-tetrafluorooxyethyl) hypofluorite
SYSTEMATIC NAME: [1-chloranyl-1,2,2,2-tetrakis(fluoranyloxy)ethyl] hypofluorite
MOLECULAR FORMULA: C2ClF5O5
MOLECULAR WEIGHT: 234.463416
SMILES: C(C(OF)(OF)Cl)(OF)(OF)OF
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Product OPENEYE NAME: [1,2,2,3,3,3-hexafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] hypofluorite
CAS Name: hypofluorous acid [1,2,2,3,3,3-hexafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] ester
IUPAC NAME: [1,2,2,3,3,3-hexafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] hypofluorite
SYSTEMATIC NAME: [1,2,2,3,3,3-hexakis(fluoranyl)-1-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propyl] hypofluorite
MOLECULAR FORMULA: C6F14O2
MOLECULAR WEIGHT: 370.040645
SMILES: C(C(OC(C(C(F)(F)F)(F)F)(F)F)(OF)F)(C(F)(F)F)(F)F
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Product OPENEYE NAME: 2-[1-(difluoromethylene)-3-methyl-butoxy]-1,1-difluoro-4-methyl-pent-1-ene
CAS Name: 2-(1,1-difluoro-4-methylpent-1-en-2-yl)oxy-1,1-difluoro-4-methyl-1-pentene
IUPAC NAME: 2-(1,1-difluoro-4-methylpent-1-en-2-yl)oxy-1,1-difluoro-4-methylpent-1-ene
SYSTEMATIC NAME: 2-[1,1-bis(fluoranyl)-4-methyl-pent-1-en-2-yl]oxy-1,1-bis(fluoranyl)-4-methyl-pent-1-ene
MOLECULAR FORMULA: C12H18F4O
MOLECULAR WEIGHT: 254.264333
SMILES: CC(C)CC(=C(F)F)OC(=C(F)F)CC(C)C
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Product OPENEYE NAME: 3,3,4,4,5,5,6,6-octafluoro-6-iodo-2-(2,2,3,3,4,4,5,5-octafluoro-5-iodo-1-methylene-pentoxy)hex-1-ene
CAS Name: 3,3,4,4,5,5,6,6-octafluoro-6-iodo-2-(3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-en-2-yl)oxy-1-hexene
IUPAC NAME: 3,3,4,4,5,5,6,6-octafluoro-6-iodo-2-(3,3,4,4,5,5,6,6-octafluoro-6-iodohex-1-en-2-yl)oxyhex-1-ene
SYSTEMATIC NAME: 3,3,4,4,5,5,6,6-octakis(fluoranyl)-6-iodanyl-2-[3,3,4,4,5,5,6,6-octakis(fluoranyl)-6-iodanyl-hex-1-en-2-yl]oxy-hex-1-ene
MOLECULAR FORMULA: C12H4F16I2O
MOLECULAR WEIGHT: 721.942951
SMILES: C=C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)OC(=C)C(C(C(C(F)(F)I)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 2,4,6-triamino-2-(4-aminobutyl)-3,6-dioxo-hexanoic acid
CAS Name: 2,4,6-triamino-2-(4-aminobutyl)-3,6-dioxohexanoic acid
IUPAC NAME: 2,4,6-triamino-2-(4-aminobutyl)-3,6-dioxohexanoic acid
SYSTEMATIC NAME: 2,4,6-tris(azanyl)-2-(4-azanylbutyl)-3,6-bis(oxidanylidene)hexanoic acid
MOLECULAR FORMULA: C10H20N4O4
MOLECULAR WEIGHT: 260.2902
SMILES: C(CCN)CC(C(=O)C(CC(=O)N)N)(C(=O)O)N
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Product OPENEYE NAME: 2-[[2-[[6-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic a
CAS Name: 2-[[2-[[6-amino-2-[[4-amino-2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-3-methy
IUPAC NAME: 2-[[2-[[6-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]pent
SYSTEMATIC NAME: 2-[[2-[[6-azanyl-2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-me
MOLECULAR FORMULA: C56H89N15O13
MOLECULAR WEIGHT: 1180.39856
SMILES: CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N
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Product OPENEYE NAME: 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pent
CAS Name: 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-5-(dia
IUPAC NAME: 6-amino-2-[[5-amino-2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylidenea
SYSTEMATIC NAME: 6-azanyl-2-[[5-azanyl-2-[[5-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]
MOLECULAR FORMULA: C55H97N19O21S
MOLECULAR WEIGHT: 1392.53838
SMILES: CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CO)N
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Product OPENEYE NAME: 6-amino-2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]hexanoic acid
CAS Name: 6-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]hexanoic acid
IUPAC NAME: 6-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
SYSTEMATIC NAME: 6-azanyl-2-[[4-azanyl-2-[[2-[[2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C39H59N11O8
MOLECULAR WEIGHT: 809.95466
SMILES: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)N
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Product OPENEYE NAME: ammonia; 2-(1,2-dicarboxyethylamino)butanedioic acid
CAS Name: ammonia; 2-(1,2-dicarboxyethylamino)butanedioic acid
IUPAC NAME: azane; 2-(1,2-dicarboxyethylamino)butanedioic acid
SYSTEMATIC NAME: azane; 2-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]butanedioic acid
MOLECULAR FORMULA: C8H14N2O8
MOLECULAR WEIGHT: 266.20536
SMILES: C(C(C(=O)O)NC(CC(=O)O)C(=O)O)C(=O)O.N
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Product OPENEYE NAME: 3-phenyldodecane-1,2-diamine
CAS Name: 3-phenyldodecane-1,2-diamine
IUPAC NAME: 3-phenyldodecane-1,2-diamine
SYSTEMATIC NAME: 3-phenyldodecane-1,2-diamine
MOLECULAR FORMULA: C18H32N2
MOLECULAR WEIGHT: 276.46008
SMILES: CCCCCCCCCC(C1=CC=CC=C1)C(CN)N
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Product OPENEYE NAME: 2-[[2-[bis[(2-hydroxyphenyl)methyl]amino]ethyl-[[5-(1,1-dimethylheptyl)-2-hydroxy-phenyl]methyl]amino]methyl]-4-(1,1-dimethylheptyl)phenol
CAS Name: 2-[[2-[bis[(2-hydroxyphenyl)methyl]amino]ethyl-[[2-hydroxy-5-(2-methyloctan-2-yl)phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
IUPAC NAME: 2-[[2-[bis[(2-hydroxyphenyl)methyl]amino]ethyl-[[2-hydroxy-5-(2-methyloctan-2-yl)phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
SYSTEMATIC NAME: 2-[[2-[bis[(2-hydroxyphenyl)methyl]amino]ethyl-[[5-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
MOLECULAR FORMULA: C48H68N2O4
MOLECULAR WEIGHT: 737.06452
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)O)CN(CCN(CC2=CC=CC=C2O)CC3=CC=CC=C3O)CC4=C(C=CC(=C4)C(C)(C)CCCCCC)O
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Product OPENEYE NAME: 2-[[2-aminoethyl-[[5-(1,1-dimethylheptyl)-2-hydroxy-phenyl]methyl]amino]methyl]-4-(1,1-dimethylheptyl)phenol
CAS Name: 2-[[2-aminoethyl-[[2-hydroxy-5-(2-methyloctan-2-yl)phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
IUPAC NAME: 2-[[2-aminoethyl-[[2-hydroxy-5-(2-methyloctan-2-yl)phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
SYSTEMATIC NAME: 2-[[2-azanylethyl-[[5-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
MOLECULAR FORMULA: C34H56N2O2
MOLECULAR WEIGHT: 524.82064
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)O)CN(CCN)CC2=C(C=CC(=C2)C(C)(C)CCCCCC)O
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Product OPENEYE NAME: 2-[[2-[bis[(5-chloro-2-hydroxy-phenyl)methyl]amino]ethyl-[[5-(1,1-dimethylheptyl)-2-hydroxy-phenyl]methyl]amino]methyl]-4-(1,1-dimethylheptyl)phenol
CAS Name: 2-[[2-[bis[(5-chloro-2-hydroxyphenyl)methyl]amino]ethyl-[[2-hydroxy-5-(2-methyloctan-2-yl)phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
IUPAC NAME: 2-[[2-[bis[(5-chloro-2-hydroxyphenyl)methyl]amino]ethyl-[[2-hydroxy-5-(2-methyloctan-2-yl)phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
SYSTEMATIC NAME: 2-[[2-[bis[(5-chloranyl-2-oxidanyl-phenyl)methyl]amino]ethyl-[[5-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
MOLECULAR FORMULA: C48H66Cl2N2O4
MOLECULAR WEIGHT: 805.95464
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)O)CN(CCN(CC2=C(C=CC(=C2)Cl)O)CC3=C(C=CC(=C3)Cl)O)CC4=C(C=CC(=C4)C(C)(C)CCCCCC)O
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Product OPENEYE NAME: 2-[[[2-[bis[(2-hydroxyphenyl)methyl]amino]-1-methyl-ethyl]-[[5-(1,1-dimethylheptyl)-2-hydroxy-phenyl]methyl]amino]methyl]-4-(1,1-dimethylheptyl)phenol
CAS Name: 2-[[1-[bis[(2-hydroxyphenyl)methyl]amino]propan-2-yl-[[2-hydroxy-5-(2-methyloctan-2-yl)phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
IUPAC NAME: 2-[[1-[bis[(2-hydroxyphenyl)methyl]amino]propan-2-yl-[[2-hydroxy-5-(2-methyloctan-2-yl)phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
SYSTEMATIC NAME: 2-[[1-[bis[(2-hydroxyphenyl)methyl]amino]propan-2-yl-[[5-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]methyl]amino]methyl]-4-(2-methyloctan-2-yl)phenol
MOLECULAR FORMULA: C49H70N2O4
MOLECULAR WEIGHT: 751.0911
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC(=C2)C(C)(C)CCCCCC)O)C(C)CN(CC3=CC=CC=C3O)CC4=CC=CC=C4O
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